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CAS 1093859-61-0 2,4,4-Trimethylpentan-2-amine Hydrobromide molecular structure lightbox
CAS RN: 1093859-61-0

2,4,4-Trimethylpentan-2-amine Hydrobromide

  • Product code: SSC-010661
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1093859-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1093859-61-0 / 2,4,4-trimethylpentan-2-amine;hydrobromide

2,4,4-Trimethylpentan-2-amine Hydrobromide | RefChem:442711 | 835-821-0

Standard CAS: 1093859-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1093859-61-0
Multi CAS
No
Molecular Formula
C8H20BrN
Molecular Weight
210.160000
Exact Mass
209.077910
SMILES
CC(C)(C)CC(C)(C)N.Br
InChI
InChI=1S/C8H19N.BrH/c1-7(2,3)6-8(4,5)9;/h6,9H2,1-5H3;1H
InChIKey
GDLPVSVSDKCFKN-UHFFFAOYSA-N
Synonyms
2,4,4-Trimethylpentan-2-amine Hydrobromide RefChem:442711 835-821-0 TERT-OCTYLAMINE HYDROBROMIDE 2,4,4-trimethylpentan-2-amine;hydrobromide

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.66
TPSA
26.02

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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